(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine

C12H17N — CID 102036806

IUPAC(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
SMILESCc1cccc([C@@H]2CCCN2C)c1
InChIInChI=1S/C12H17N/c1-10-5-3-6-11(9-10)12-7-4-8-13(12)2/h3,5-6,9,12H,4,7-8H2,1-2H3/t12-/m0/s1
InChIKeyDSWFXWKHMBCVSL-LBPRGKRZSA-N
MW175.27 g/mol
LogP2.76
Rot. Bonds1

About (2S)-1-methyl-2-(3-methylphenyl)pyrrolidine

(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine (PubChem CID 102036806) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (2S)-1-methyl-2-(3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
PubChem CID102036806
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
SMILESCc1cccc([C@@H]2CCCN2C)c1
InChIInChI=1S/C12H17N/c1-10-5-3-6-11(9-10)12-7-4-8-13(12)2/h3,5-6,9,12H,4,7-8H2,1-2H3/t12-/m0/s1
InChIKeyDSWFXWKHMBCVSL-LBPRGKRZSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
2-(3-methylphenyl)pyrrolidine-1-carbaldehyde;hydrochloride
CID 175371081
5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol
CID 110923856
2-methyl-5-(1-methylpyrrolidin-2-yl)aniline
CID 82279453
1-methyl-2-phenylazepane
CID 23447707
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine
CID 20895828
2-(3-cyclopropylphenyl)-1-(3-methylphenyl)pyrrolidine
CID 134300269
(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 119288516
2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane
CID 90801610

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(3-methylphenyl)pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-(3-methylphenyl)pyrrolidine (CID 102036806) is (2S)-1-methyl-2-(3-methylphenyl)pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-(3-methylphenyl)pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-(3-methylphenyl)pyrrolidine is Cc1cccc([C@@H]2CCCN2C)c1.
What is the InChIKey of (2S)-1-methyl-2-(3-methylphenyl)pyrrolidine?
The InChIKey is DSWFXWKHMBCVSL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17N/c1-10-5-3-6-11(9-10)12-7-4-8-13(12)2/h3,5-6,9,12H,4,7-8H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-1-methyl-2-(3-methylphenyl)pyrrolidine?
(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine has a molecular weight of 175.27 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(3-methylphenyl)pyrrolidine is sourced from PubChem (CID 102036806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).